#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h20 n GLN 2 N 0.00 0.77 -3.63 3.49 10.64 -1.26 -4.86 117.38 122.53 1h20 n GLN 2 Ca 0.00 0.00 -0.15 0.00 -1.83 0.00 0.00 57.00 55.02 1h20 n GLN 2 Cb 0.00 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 27.81 1h20 n GLN 2 CO 0.00 0.00 0.00 -3.38 -1.83 0.00 0.00 177.06 171.85 1h20 s HIS 3 N -2.23 -0.56 -0.02 2.61 -3.43 -1.26 -5.10 115.29 105.30 1h20 s HIS 3 Ca 0.40 1.15 0.15 0.00 -0.80 0.00 0.00 55.06 55.96 1h20 s HIS 3 Cb 0.21 0.27 0.23 0.00 -1.43 0.00 0.00 32.58 31.86 1h20 s HIS 3 CO 0.40 -0.44 1.52 0.00 -2.00 0.00 0.00 174.74 174.23 1h20 h ALA 4 N 4.12 0.74 -2.32 -1.38 0.00 -2.05 -3.48 119.26 114.88 1h20 h ALA 4 Ca -0.28 -0.47 -0.49 0.00 0.00 0.00 0.00 54.91 53.67 1h20 h ALA 4 Cb 1.16 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.92 1h20 h ALA 4 CO 0.28 0.64 0.38 0.16 0.00 0.00 0.00 179.25 180.72 1h20 s ASP 5 N -6.48 6.00 -0.64 0.00 -4.77 -1.26 -4.98 116.67 104.55 1h20 s ASP 5 Ca 0.02 1.79 -0.02 0.00 -3.30 0.00 0.00 52.55 51.04 1h20 s ASP 5 Cb 0.09 -2.53 0.35 0.00 -1.09 0.00 0.00 42.92 39.74 1h20 s ASP 5 CO 0.73 -1.02 2.10 -0.81 0.70 0.00 0.00 175.17 176.87 1h20 n PRO 6 N -1.83 2.53 0.00 2.11 -0.04 -1.26 -4.45 135.00 132.06 1h20 n PRO 6 Ca 0.08 -2.98 0.00 0.00 -0.04 0.00 0.00 63.50 60.56 1h20 n PRO 6 Cb 0.53 -2.16 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 1h20 n PRO 6 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 1h20 n ILE 7 N -0.47 0.00 0.07 0.52 0.13 -1.26 -4.79 119.36 113.56 1h20 n ILE 7 Ca 0.54 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 62.19 1h20 n ILE 7 Cb 0.54 -0.41 0.00 0.00 -0.84 0.00 0.00 39.64 38.93 1h20 n ILE 7 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1h20 n ASN 9 N 0.83 0.00 -4.65 0.00 4.13 -1.26 -4.35 115.26 109.97 1h20 n ASN 9 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1h20 n ASN 9 Cb 0.03 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.24 1h20 n ASN 9 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1h20 s LYS 10 N 0.00 3.94 -0.02 3.52 2.47 0.66 -4.69 119.74 125.62 1h20 s LYS 10 Ca 0.00 2.34 -0.30 0.00 -1.56 0.00 0.00 55.97 56.45 1h20 s LYS 10 Cb 0.00 -4.15 -0.03 0.00 -1.46 0.00 0.00 37.83 32.18 1h20 s LYS 10 CO 0.00 -1.16 1.08 -2.14 0.16 0.00 0.00 175.35 173.29 1h20 s PRO 11 N 4.73 4.46 0.18 4.03 0.02 -1.26 -1.49 135.00 145.66 1h20 s PRO 11 Ca 0.86 1.54 -0.09 0.00 0.02 0.00 0.00 61.00 63.33 1h20 s PRO 11 Cb -0.38 -3.48 0.04 0.00 0.02 0.00 0.00 34.50 30.70 1h20 s PRO 11 CO 0.37 -0.24 0.48 0.00 -0.33 0.00 0.00 177.00 177.28 1h20 n LYS 13 N -0.33 1.20 -3.03 0.00 4.76 -1.26 -4.28 118.16 115.22 1h20 n LYS 13 Ca -0.04 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.20 1h20 n LYS 13 Cb 0.32 -0.77 0.07 0.00 -1.84 0.00 0.00 35.03 32.82 1h20 n LYS 13 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1h20 s THR 14 N -1.53 2.05 -0.16 -0.18 -4.23 -1.26 -4.78 115.64 105.55 1h20 s THR 14 Ca 0.00 -0.99 0.20 0.00 -1.18 0.00 0.00 61.69 59.72 1h20 s THR 14 Cb 0.00 -2.06 -0.12 0.00 1.34 0.00 0.00 72.50 71.66 1h20 s THR 14 CO 0.00 0.00 0.82 0.00 -0.54 0.00 0.00 174.62 174.90 1h20 n HIS 15 N -2.30 0.77 -0.13 3.99 1.44 -1.26 -3.34 115.22 114.39 1h20 n HIS 15 Ca 0.17 0.24 0.02 0.00 -2.01 0.00 0.00 57.72 56.13 1h20 n HIS 15 Cb 0.62 -0.93 0.32 0.00 0.12 0.00 0.00 29.99 30.11 1h20 n HIS 15 CO 0.00 0.00 0.00 -0.44 -2.81 0.00 0.00 176.34 173.09 1h20 h ASP 16 N 0.00 0.71 0.20 4.39 5.19 -1.97 0.24 116.42 125.18 1h20 h ASP 16 Ca -0.09 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 1h20 h ASP 16 Cb 1.27 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.60 1h20 h ASP 16 CO 0.02 0.51 0.00 0.47 -3.12 0.00 0.00 179.24 177.12 1h20 n ASP 17 N -4.44 0.00 0.00 6.45 10.43 -1.23 -3.24 116.55 124.52 1h20 n ASP 17 Ca 0.06 0.05 0.00 0.00 2.57 0.00 0.00 54.79 57.47 1h20 n ASP 17 Cb 0.04 -0.25 0.00 0.00 1.84 0.00 0.00 41.12 42.75 1h20 n ASP 17 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1h20 n SER 19 N -2.43 0.00 -0.05 0.00 2.88 0.79 -1.30 113.62 113.51 1h20 n SER 19 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 1h20 n SER 19 Cb 0.14 0.00 0.65 0.00 -0.75 0.00 0.00 64.21 64.24 1h20 n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1h20 n GLY 20 N 0.00 -1.15 3.73 0.46 0.00 -1.26 -4.91 105.19 102.06 1h20 n GLY 20 Ca 0.00 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 1h20 n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h20 s ALA 21 N -2.60 2.10 -0.12 4.61 0.00 -0.42 -5.00 121.76 120.33 1h20 s ALA 21 Ca 0.26 0.60 0.19 0.00 0.00 0.00 0.00 51.96 53.01 1h20 s ALA 21 Cb 0.20 -3.38 -0.23 0.00 0.00 0.00 0.00 23.12 19.71 1h20 s ALA 21 CO 0.49 -1.90 0.48 -2.67 0.00 0.00 0.00 175.76 172.16 1h20 n TRP 22 N -3.15 0.38 0.00 0.00 4.27 -1.26 -4.66 117.44 113.02 1h20 n TRP 22 Ca 0.11 0.13 0.00 0.00 -3.89 0.00 0.00 57.50 53.85 1h20 n TRP 22 Cb 0.52 -0.89 0.00 0.00 -1.36 0.00 0.00 31.31 29.58 1h20 n TRP 22 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1h20 n PHE 23 N -2.66 0.00 -2.84 -2.67 7.35 -1.26 -4.95 117.46 110.43 1h20 n PHE 23 Ca -0.16 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.10 1h20 n PHE 23 Cb 0.86 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.69 1h20 n PHE 23 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1h20 h GLN 25 N 6.58 0.00 -6.38 0.00 7.50 -1.68 -3.36 115.11 117.77 1h20 h GLN 25 Ca 0.31 0.00 -0.69 0.00 0.50 0.00 0.00 58.65 58.78 1h20 h GLN 25 Cb 0.79 0.00 -0.21 0.00 0.05 0.00 0.00 27.48 28.10 1h20 h GLN 25 CO 1.32 0.17 -0.76 0.00 -1.50 0.00 0.00 178.83 178.06 1h20 s ALA 26 N -3.13 2.74 -0.31 3.87 0.00 -0.38 -1.73 121.76 122.82 1h20 s ALA 26 Ca 0.05 -1.04 -0.19 0.00 0.00 0.00 0.00 51.96 50.78 1h20 s ALA 26 Cb 0.06 -0.95 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 1h20 s ALA 26 CO 0.70 0.57 0.57 0.00 0.00 0.00 0.00 175.76 177.61 1h20 s TRP 28 N 2.49 3.42 0.17 0.00 0.52 -0.57 -4.62 118.94 120.35 1h20 s TRP 28 Ca 0.23 1.36 -0.15 0.00 0.02 0.00 0.00 56.10 57.56 1h20 s TRP 28 Cb -0.15 -3.44 0.09 0.00 -1.15 0.00 0.00 33.47 28.82 1h20 s TRP 28 CO 0.12 -1.30 1.78 -0.91 0.02 0.00 0.00 176.95 176.65 1h20 h ASN 29 N 5.81 0.30 0.29 2.95 2.35 -1.90 0.16 115.58 125.54 1h20 h ASN 29 Ca -0.43 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 1h20 h ASN 29 Cb 1.21 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.56 1h20 h ASN 29 CO 0.77 0.21 -0.14 0.77 -1.65 0.00 0.00 177.43 177.40 1h20 h SER 30 N 0.42 -0.33 0.95 5.81 4.64 -1.97 -3.31 113.55 119.77 1h20 h SER 30 Ca 0.19 -0.20 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1h20 h SER 30 Cb 0.11 0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1h20 h SER 30 CO -0.14 0.07 -1.09 0.00 -0.87 0.00 0.00 176.83 174.80 1h20 h ALA 31 N -0.26 0.44 -0.70 5.18 0.00 -1.97 -3.48 119.26 118.47 1h20 h ALA 31 Ca -0.04 -0.97 -0.27 0.00 0.00 0.00 0.00 54.91 53.63 1h20 h ALA 31 Cb 0.51 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.15 1h20 h ALA 31 CO 0.07 1.26 -0.25 0.54 0.00 0.00 0.00 179.25 180.87 1h20 n ARG 32 N -3.29 -0.93 -4.17 0.00 1.74 0.05 -5.01 116.66 105.05 1h20 n ARG 32 Ca -0.03 0.95 -0.11 0.00 -0.77 0.00 0.00 57.85 57.90 1h20 n ARG 32 Cb 0.94 -5.02 -0.10 0.00 -1.02 0.00 0.00 32.46 27.26 1h20 n ARG 32 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1h20 s THR 33 N -2.50 0.71 0.48 0.55 -4.23 -1.25 -0.91 115.64 108.48 1h20 s THR 33 Ca 0.00 -1.88 -0.24 0.00 -1.18 0.00 0.00 61.69 58.39 1h20 s THR 33 Cb 0.00 -1.61 -0.08 0.00 1.34 0.00 0.00 72.50 72.16 1h20 s THR 33 CO 0.00 -0.83 1.37 0.00 -0.54 0.00 0.00 174.62 174.62 1h20 s GLY 35 N -0.63 1.10 0.97 0.00 0.00 0.13 -4.04 107.32 104.85 1h20 s GLY 35 Ca 0.65 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 43.99 1h20 s GLY 35 CO 0.55 -0.80 0.69 -1.55 0.00 0.00 0.00 173.10 171.99 1h20 n PRO 36 N -0.52 -0.64 -1.01 2.90 -0.04 -1.26 -1.25 135.00 133.17 1h20 n PRO 36 Ca -0.01 -0.14 -0.34 0.00 -0.04 0.00 0.00 63.50 62.97 1h20 n PRO 36 Cb 0.61 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 1h20 n PRO 36 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1h20 n TYR 37 N -4.03 1.76 -3.52 0.54 4.19 -1.26 -4.00 117.16 110.85 1h20 n TYR 37 Ca 0.08 -1.98 -0.40 0.00 3.31 0.00 0.00 57.90 58.91 1h20 n TYR 37 Cb 0.54 -1.76 -0.04 0.00 0.49 0.00 0.00 39.34 38.56 1h20 n TYR 37 CO 0.00 0.00 0.00 0.08 0.91 0.00 0.00 176.86 177.85 1h20 s VAL 38 N 4.12 4.93 0.00 2.97 1.01 -1.26 -4.98 120.40 127.19 1h20 s VAL 38 Ca 0.49 -3.40 0.00 0.00 0.00 0.00 0.00 61.98 59.07 1h20 s VAL 38 Cb 0.13 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1h20 s VAL 38 CO 0.03 -1.08 0.00 0.61 0.00 0.00 0.00 175.10 174.67